4-(4-methylphenyl)sulfanylbutanoic acid
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4-(4-methylphenyl)sulfanylbutanoic acid
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CAS No:
18850-48-1
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Formula:
C11H14O2S
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Chemical Name:
4-(4-methylphenyl)sulfanylbutanoic acid
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Synonyms:
butanoic acid, 4-[(4-methylphenyl)thio]-;18850-48-1;4-[(4-methylphenyl)thio]butanoic acid;NSC125379;4-(4-methylphenyl)sulfanylbutanoic acid;SCHEMBL417732;DTXSID30298690;ZINC1714513;4-(4-methylphenylthio)butanoic acid;SBB079551;AKOS000157497;MCULE-4445079115;NSC-125379;F2182-0129
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CAS No:
4-(4-methylphenyl)sulfanylbutanoic acid Basic Attributes
210.29 g/mol
210.07145086 g/mol
125379
DTXSID30298690
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:210.29
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:210.07145086
Monoisotopic Mass:210.07145086
Topological Polar Surface Area:62.6
Heavy Atom Count:14
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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